5V4I

Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 43 21 2
Unit cell lengths	80.594, 80.594, 36.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.500
R-factor	0.2322
Rwork	0.230
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nhi
RMSD bond length	0.009
RMSD bond angle	1.326
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.25)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	36.040	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.144	0.083	0.807
Rmeas	0.152	0.089	0.861
Rpim	0.050	0.031	0.292
Number of reflections	20117		967
<I/σ(I)>	11
Completeness [%]	100.0	99.3	100
Redundancy	9.2	6.9	7.6
CC(1/2)	0.996	0.994	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	294	100mg/mL hen egg white lysozyme, 0.8 M NaCl, 0.1 M sodium acetate pH 4.7